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ENAMINE-ZINC03372690

 MMsINC code: MMs01402711
Type: Neutral
Formula: C21H15ClFNO5S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccccc2C(OCC(=O)c2ccccc2F)=O)cc1
InChI:   InChI=1/C21H15ClFNO5S/c22-14-9-11-15(12-10-14)30(27,28)24-19-8-4-2-6-17(19)21(26)29-13-20(25)16-5-1-3-7-18(16)23/h1-12,24H,13H2

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Potential Energy
Epot(MMFF94)=87.8431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 447.87 g/mol  logS: -6.55697  SlogP: 4.3196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099511  Sterimol/B1: 2.30154  Sterimol/B2: 4.83816  Sterimol/B3: 5.52974
  Sterimol/B4: 9.09312  Sterimol/L: 16.8098 
 
 Surface and Volume Properties
  Accessible surface: 670.799  Positive charged surface: 301.147  Negative charged surface: 369.652  Volume: 369.25
  Hydrophobic surface: 541.616  Hydrophilic surface: 129.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.